N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

C23H21FN4S — CID 11732208

IUPACN-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C
InChIInChI=1S/C23H21FN4S/c1-28-22(21(27-23(28)29-2)17-8-10-19(24)11-9-17)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyTVBDBLCHNYCOHL-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.62
Rot. Bonds6

About N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine

N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (PubChem CID 11732208) has the molecular formula C23H21FN4S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
PubChem CID11732208
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC NameN-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C
InChIInChI=1S/C23H21FN4S/c1-28-22(21(27-23(28)29-2)17-8-10-19(24)11-9-17)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,26)
InChIKeyTVBDBLCHNYCOHL-UHFFFAOYSA-N
XLogP5.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sb-203580
CID 176155
SB-220025
CID 5164
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
PF-670462
CID 51049607
L-790070
CID 9806182
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
Arpromidine
CID 65895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine (CID 11732208) is N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)n1C.
What is the InChIKey of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
The InChIKey is TVBDBLCHNYCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-28-22(21(27-23(28)29-2)17-8-10-19(24)11-9-17)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine?
N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine has a molecular weight of 404.51 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 11732208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).